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NCID-ZINC04809150

 MMsINC code: MMs02409247
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1ccccc1C(=O)NO
InChI:   InChI=1/C7H6FNO2/c8-6-4-2-1-3-5(6)7(10)9-11/h1-4,11H,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.128 g/mol  logS: -1.73537  SlogP: 0.9447  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.28973e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09881  Sterimol/B3: 2.53278
  Sterimol/B4: 5.50664  Sterimol/L: 10.8641 
 
 Surface and Volume Properties
  Accessible surface: 314.404  Positive charged surface: 155.551  Negative charged surface: 158.853  Volume: 131.375
  Hydrophobic surface: 195.949  Hydrophilic surface: 118.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.